REMARK  Name = BDB021705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.620  -0.523  -0.567  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.686   0.264  -0.106  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.921  -0.156  -0.560  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.971  -1.135  -0.799  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.524   1.218   0.647  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.157   0.505  -0.413  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.275   1.845  -0.030  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        5.544   2.384   0.060  0.00  0.00    +0.174 A 
ATOM      9  O   LIG    1        5.837   3.665   0.417  0.00  0.00    -0.395 OA
ATOM     10  C   LIG    1        7.267   3.627   0.330  0.00  0.00    +0.589 C 
ATOM     11  O   LIG    1        7.816   2.364  -0.072  0.00  0.00    -0.395 OA
ATOM     12  F   LIG    1        7.784   3.955   1.540  0.00  0.00    -0.125 F 
ATOM     13  F   LIG    1        7.671   4.571  -0.556  0.00  0.00    -0.125 F 
ATOM     14  C   LIG    1        6.671   1.646  -0.219  0.00  0.00    +0.173 A 
ATOM     15  C   LIG    1        6.593   0.329  -0.608  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        5.319  -0.242  -0.708  0.00  0.00    +0.027 A 
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -2.866   1.017   1.461  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -2.306  -0.258   1.933  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -0.851  -0.427   1.488  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.742  -0.302  -0.037  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -1.369   1.013  -0.509  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -2.807   1.130   0.003  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.173   1.323   2.079  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -4.421   2.838   2.068  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.396   0.510   1.584  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -7.264   0.114  -0.060  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -6.140   1.052   0.358  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.704  -1.232  -1.852  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.298  -2.620  -1.752  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        1.024  -3.467  -0.669  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        1.580  -4.746  -0.608  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.405  -5.199  -1.635  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        2.672  -4.376  -2.726  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        2.118  -3.096  -2.788  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 7